LMST04030204
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9168    7.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1226    6.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1226    5.8568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9168    5.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7111    5.8568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5054    5.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    5.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    6.7739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5054    7.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7111    6.7739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5054    8.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    8.6084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0939    8.1498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0939    7.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6827    7.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6827    8.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8883    8.6084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0939    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7111    7.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8883    9.3421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1414    9.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5237    9.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1592    9.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4299    9.3421    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0655    9.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4299    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4028    8.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8883   10.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    9.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7111    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0655   10.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5878    9.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    7.5537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    6.4613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    6.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7946    9.7090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7946   10.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 37  1  0  0  0  0
 37 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  1  6  0  0  0
 12 30  1  6  0  0  0
  5 31  1  1  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
 37 38  1  1  0  0  0
M  END
> <LM_ID>
LMST04030204

> <COMMON_NAME>
3alpha,12alpha,24R-Trihydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,12alpha,24R-Trihydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O5

> <MASS>
450.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YVBBHGWYMPLXND-GUESJWRESA-N

> <INCHI>
InChI=1S/C27H46O5/c1-15(5-10-23(29)16(2)25(31)32)20-8-9-21-19-7-6-17-13-18(28)11-12-26(17,3)22(19)14-24(30)27(20,21)4/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17-,18-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](O)C(C)C(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186887

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931539

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$